methyl 6-amino-4-{2-[(4-chlorobenzoyl)oxy]phenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
Chemical Structure Depiction of
methyl 6-amino-4-{2-[(4-chlorobenzoyl)oxy]phenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
methyl 6-amino-4-{2-[(4-chlorobenzoyl)oxy]phenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 3629-0262 |
| Compound Name: | methyl 6-amino-4-{2-[(4-chlorobenzoyl)oxy]phenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate |
| Molecular Weight: | 424.84 |
| Molecular Formula: | C22 H17 Cl N2 O5 |
| Smiles: | CC1=C(C(C(C#N)=C(N)O1)c1ccccc1OC(c1ccc(cc1)[Cl])=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4347 |
| logD: | 3.4347 |
| logSw: | -4.1609 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.331 |
| InChI Key: | GFMQYWUMISWXTF-LJQANCHMSA-N |